methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

C19H27N3O3 — CID 166197318

IUPACmethyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C19H27N3O3/c1-25-18(24)21-16(13-15-5-3-2-4-6-15)17(23)22-12-9-19(14-22)7-10-20-11-8-19/h2-6,16,20H,7-14H2,1H3,(H,21,24)
InChIKeySFZZDPYZVGJSGT-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.56
Rot. Bonds4

About methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 166197318) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID166197318
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namemethyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C19H27N3O3/c1-25-18(24)21-16(13-15-5-3-2-4-6-15)17(23)22-12-9-19(14-22)7-10-20-11-8-19/h2-6,16,20H,7-14H2,1H3,(H,21,24)
InChIKeySFZZDPYZVGJSGT-UHFFFAOYSA-N
XLogP1.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 136528201
ethyl N-[(2S)-1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 74227220
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3759569
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 134813321
tert-butyl N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42897084
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
(2R)-2-(methoxycarbonylamino)-3-phenylpropanethioic S-acid
CID 149453247

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 166197318) is methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate is COC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCNCC2)C1.
What is the InChIKey of methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is SFZZDPYZVGJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-18(24)21-16(13-15-5-3-2-4-6-15)17(23)22-12-9-19(14-22)7-10-20-11-8-19/h2-6,16,20H,7-14H2,1H3,(H,21,24).
What are the key properties of methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 166197318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).